bis(triethanolammonium) 4,4’-bis[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2,2’-stilbenedisulfonate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C40H44N12O10S2.2C6H15NO3
Molecular Weight	1215.358
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of bis(triethanolammonium) 4,4’-bis[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2,2’-stilbenedisulfonate

Structure Search

SMILES

OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)C1=NC(NC2=CC=CC=C2)=NC(NC3=CC=C(\C=C\C4=CC=C(NC5=NC(=NC(NC6=CC=CC=C6)=N5)N(CCO)CCO)C=C4S(O)(=O)=O)C(=C3)S(O)(=O)=O)=N1

InChI

InChIKey=LHVSEHSXMVXQST-YHPRVSEPSA-N

InChI=1S/C40H44N12O10S2.2C6H15NO3/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;2*8-4-1-7(2-5-9)3-6-10/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);2*8-10H,1-6H2/b12-11+;;

HIDE SMILES / InChI

Molecular Formula	C6H15NO3
Molecular Weight	149.1882
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C40H44N12O10S2
Molecular Weight	916.982
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:01:48 GMT 2023` Edited by `admin` on `Sat Dec 16 12:01:48 GMT 2023`
Record UNII	23PGO3EM01
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

bis(triethanolammonium) 4,4’-bis[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2,2’-stilbenedisulfonate

Systematic Name

English

benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, compound with 2,2',2''-nitrilotris[ethanol] (1:2)

Systematic Name

English

C.I. Fluorescent Brightener 28, tris(2-hydroxyethyl)amine salt (1:2)

Common Name

English

Code System Code Type Description

CAS

67828-26-6